N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C12H11ClN2O3 — CID 99842279

IUPACN-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)no2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3/c1-7-5-11(18-15-7)12(16)14-8-3-4-9(13)10(6-8)17-2/h3-6H,1-2H3,(H,14,16)
InChIKeyMCQGHDXBKSIPNL-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.90
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 99842279) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID99842279
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC NameN-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)no2)ccc1Cl
InChIInChI=1S/C12H11ClN2O3/c1-7-5-11(18-15-7)12(16)14-8-3-4-9(13)10(6-8)17-2/h3-6H,1-2H3,(H,14,16)
InChIKeyMCQGHDXBKSIPNL-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
N-[5-(butanoylamino)-2-chlorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911420
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 99842279) is N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is COc1cc(NC(=O)c2cc(C)no2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is MCQGHDXBKSIPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-5-11(18-15-7)12(16)14-8-3-4-9(13)10(6-8)17-2/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 266.68 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99842279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).